tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate

C18H34N2O2 — CID 103857635

IUPACtert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
SMILESCC(C)C1CCCCC1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-12(2)15-8-6-7-9-16(15)19-13-10-14(11-13)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyATXKMFSUZFJHOB-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.85
Rot. Bonds4

About tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate (PubChem CID 103857635) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
PubChem CID103857635
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
SMILESCC(C)C1CCCCC1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-12(2)15-8-6-7-9-16(15)19-13-10-14(11-13)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyATXKMFSUZFJHOB-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
CID 79462086
tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate
CID 107239046
tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate
CID 80562300
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[1-[(2-propan-2-ylcyclohexyl)amino]propan-2-yl]carbamate
CID 107247960
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate (CID 103857635) is tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate is CC(C)C1CCCCC1NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate?
The InChIKey is ATXKMFSUZFJHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12(2)15-8-6-7-9-16(15)19-13-10-14(11-13)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103857635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).